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#$Date: 2015-07-10 13:31:48 +0200 (vie 10 de jul de 2015) $
#$Revision: 142062 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/18/1521846.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1521846
loop_
_publ_author_name
'Ritter, C.'
'Ibarra, M.R.'
'Garcia, J.'
'Morellon, L.'
'Blasco, J.'
'de Teresa, J.M.'
_publ_section_title
;
 Structural and magnetic properties of double perovskites A A' Fe Mo O6
 (AA' = Ba2, BaSr, Sr2, Ca)
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8295
_journal_page_last               8308
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Fe0.97 Mo0.94 O5.81 Sr2'
_chemical_name_systematic        'Sr2 Fe0.97 Mo0.94 O5.81'
_space_group_IT_number           84
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5741
_cell_length_b                   5.5741
_cell_length_c                   7.9243
_cell_volume                     246.213
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Ritter_JCOMEL_2000_1485.cif
_cod_data_source_block           Fe0.97Mo0.94O5.81Sr2
_cod_original_cell_volume        246.2127
_cod_database_code               1521846
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z+1/2
-x,-y,z
y,-x,z+1/2
-x,-y,-z
y,-x,-z-1/2
x,y,-z
-y,x,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sr2 Sr+2 0.5 0.5 0.25 1 0.0
O1 O-2 0.2727 0.2727 0 0.968 0.0
Mo1 Mo+5 0 0.5 0 0.94 0.0
Fe1 Fe+3 0.5 0 0 0.97 0.0
Sr1 Sr+2 0 0 0.25 1 0.0
O3 O-2 0 0.5 0.7544 0.968 0.0
O2 O-2 0.2273 0.7727 0 0.968 0.0
